N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine

C14H25N3S — CID 116967412

IUPACN,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCNCC(c1nc(C2CCN(C)C2)cs1)C(C)C
InChIInChI=1S/C14H25N3S/c1-10(2)12(7-15-3)14-16-13(9-18-14)11-5-6-17(4)8-11/h9-12,15H,5-8H2,1-4H3
InChIKeyATQWNECIUDKLRN-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.52
Rot. Bonds5

About N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine

N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 116967412) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID116967412
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCNCC(c1nc(C2CCN(C)C2)cs1)C(C)C
InChIInChI=1S/C14H25N3S/c1-10(2)12(7-15-3)14-16-13(9-18-14)11-5-6-17(4)8-11/h9-12,15H,5-8H2,1-4H3
InChIKeyATQWNECIUDKLRN-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine (CID 116967412) is N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine is CNCC(c1nc(C2CCN(C)C2)cs1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is ATQWNECIUDKLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)12(7-15-3)14-16-13(9-18-14)11-5-6-17(4)8-11/h9-12,15H,5-8H2,1-4H3.
What are the key properties of N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine?
N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 116967412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).